1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide

C25H34N2O — CID 173154633

IUPAC1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCc1cccc(-c2ccc(CNC(=O)C3CCCCN3CCC(C)C)cc2)c1
InChIInChI=1S/C25H34N2O/c1-19(2)14-16-27-15-5-4-9-24(27)25(28)26-18-21-10-12-22(13-11-21)23-8-6-7-20(3)17-23/h6-8,10-13,17,19,24H,4-5,9,14-16,18H2,1-3H3,(H,26,28)
InChIKeyJRZMUEPIJAWQPD-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.18
Rot. Bonds7

About 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide

1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 173154633) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID173154633
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCc1cccc(-c2ccc(CNC(=O)C3CCCCN3CCC(C)C)cc2)c1
InChIInChI=1S/C25H34N2O/c1-19(2)14-16-27-15-5-4-9-24(27)25(28)26-18-21-10-12-22(13-11-21)23-8-6-7-20(3)17-23/h6-8,10-13,17,19,24H,4-5,9,14-16,18H2,1-3H3,(H,26,28)
InChIKeyJRZMUEPIJAWQPD-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
CID 173154239
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
(2R)-1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 670539
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357979
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 134800141
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
(2S,5R)-5-(aminomethyl)-N-[[4-(3-methylphenyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120794001

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide (CID 173154633) is 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide is Cc1cccc(-c2ccc(CNC(=O)C3CCCCN3CCC(C)C)cc2)c1.
What is the InChIKey of 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is JRZMUEPIJAWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-19(2)14-16-27-15-5-4-9-24(27)25(28)26-18-21-10-12-22(13-11-21)23-8-6-7-20(3)17-23/h6-8,10-13,17,19,24H,4-5,9,14-16,18H2,1-3H3,(H,26,28).
What are the key properties of 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide?
1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 173154633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).